4-[bis(phenylmethyl)amino]-7-pyrrolidin-3-yl-spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 4-[bis(phenylmethyl)amino]-7-pyrrolidin-3-yl-spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 4-(dibenzylamino)-7-pyrrolidin-3-yl-spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 4-[bis(phenylmethyl)amino]-7-(3-pyrrolidinyl)-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 4-(dibenzylamino)-7-pyrrolidin-3-ylspiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 4-(dibenzylamino)-7-pyrrolidin-3-yl-spiro[phthalan-3,9'-xanthene]-1-one Formula: C38H32N2O3 MolecularWeight: 564.67228

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1C2=C3C(=C(C=C2)N(CC4=CC=CC=C4)CC5=CC=CC=C5)C6(C7=CC=CC=C7OC8=CC=CC=C86)OC3=O

Isomeric SMILES

C1CNCC1C2=C3C(=C(C=C2)N(CC4=CC=CC=C4)CC5=CC=CC=C5)C6(C7=CC=CC=C7OC8=CC=CC=C86)OC3=O

InChI

InChI=1S/C38H32N2O3/c41-37-35-29(28-21-22-39-23-28)19-20-32(40(24-26-11-3-1-4-12-26)25-27-13-5-2-6-14-27)36(35)38(43-37)30-15-7-9-17-33(30)42-34-18-10-8-16-31(34)38/h1-20,28,39H,21-25H2